Cas no 491-49-6 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one)
491-49-6 structure
Product Name:2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one
CAS No:491-49-6
MF:C16H12O7
MW:316.262285232544
CID:1532582
PubChem ID:5281679
Update Time:2025-04-21
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methylchromen-4-one
- 3,3',4',5,7-Pentahydroxy-6-methylflavone
- Pinoquercetin
- 6-C-Methylquercetin
- CHEBI:8224
- LMPK12112292
- 491-49-6
- DTXSID00415175
- Q27108001
- SCHEMBL12557418
- methylquercetin
-
- Inchi： 1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,17-20,22H,1H3
- InChI Key： DTFXGVGIKNSCQQ-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=C(C=2)O)O)=C(C(C2C(=C(C)C(=CC1=2)O)O)=O)O
Computed Properties
- Exact Mass: 316.05826
- Monoisotopic Mass: 316.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 517
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 127A^2
- XLogP3: 2.5
Experimental Properties
- Density: 1.716
- Boiling Point: 650.2°C at 760 mmHg
- Flash Point: 247.5°C
- Refractive Index: 1.791
- PSA: 127.45
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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